N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C16H15N5O3S2 — CID 122246143

IUPACN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C1CCCN1c1cc(CNS(=O)(=O)c2cccc3nsnc23)ccn1
InChIInChI=1S/C16H15N5O3S2/c22-15-5-2-8-21(15)14-9-11(6-7-17-14)10-18-26(23,24)13-4-1-3-12-16(13)20-25-19-12/h1,3-4,6-7,9,18H,2,5,8,10H2
InChIKeyJBZMFSVSEMRGLE-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.69
Rot. Bonds5

About N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 122246143) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID122246143
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C1CCCN1c1cc(CNS(=O)(=O)c2cccc3nsnc23)ccn1
InChIInChI=1S/C16H15N5O3S2/c22-15-5-2-8-21(15)14-9-11(6-7-17-14)10-18-26(23,24)13-4-1-3-12-16(13)20-25-19-12/h1,3-4,6-7,9,18H,2,5,8,10H2
InChIKeyJBZMFSVSEMRGLE-UHFFFAOYSA-N
XLogP1.69
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 71890485
4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 122246136
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246938
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53092628
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122280996
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122328125
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 122246143) is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=C1CCCN1c1cc(CNS(=O)(=O)c2cccc3nsnc23)ccn1.
What is the InChIKey of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is JBZMFSVSEMRGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c22-15-5-2-8-21(15)14-9-11(6-7-17-14)10-18-26(23,24)13-4-1-3-12-16(13)20-25-19-12/h1,3-4,6-7,9,18H,2,5,8,10H2.
What are the key properties of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 389.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 122246143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).